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5'-O-PIVALOYLTHYMIDINE_3'-[O-(2-METHOXYETHYL)-S-[2-CYANO-2-METHOXYCARBONYL-3-(4,4'-DIMETHOXYTRITYLOXY)-PROPYL]-PHOSPHOROMONOTHIOATE];DIASTEREOMER_
SpectraBase Compound ID HPJ8lX3LQaJ
InChI InChI=1S/C43H50N3O12PS/c1-30-25-46(40(50)45-37(30)47)36-24-34(35(57-36)26-54-38(48)41(2,3)4)58-59(51,56-23-22-52-5)60-29-42(27-44,39(49)53-6)28-55-43(31-16-10-7-11-17-31,32-18-12-8-13-19-32)33-20-14-9-15-21-33/h7-21,25,34-36H,22-24,26,28-29H2,1-6H3,(H,45,47,50)/t34-,35+,36+,42?,59?/m0/s1
InChIKey GHJSXNIYRCODPC-KIRCUVOXSA-N
Mol Weight 863.9 g/mol
Molecular Formula C43H50N3O12PS
Exact Mass 863.285282 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8s8b6uDR4k4
Name 5'-O-PIVALOYLTHYMIDINE_3'-[O-(2-METHOXYETHYL)-S-[2-CYANO-2-METHOXYCARBONYL-3-(4,4'-DIMETHOXYTRITYLOXY)-PROPYL]-PHOSPHOROMONOTHIOATE];DIASTEREOMER_
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H50N3O12PS
InChI InChI=1S/C43H50N3O12PS/c1-30-25-46(40(50)45-37(30)47)36-24-34(35(57-36)26-54-38(48)41(2,3)4)58-59(51,56-23-22-52-5)60-29-42(27-44,39(49)53-6)28-55-43(31-16-10-7-11-17-31,32-18-12-8-13-19-32)33-20-14-9-15-21-33/h7-21,25,34-36H,22-24,26,28-29H2,1-6H3,(H,45,47,50)/t34-,35+,36+,42?,59?/m0/s1
InChIKey GHJSXNIYRCODPC-KIRCUVOXSA-N
Literature Reference Author M.ORA,E.MAEKI,P.POIJAERVI,K.NEUVONEN,M.OIVANEN,H.LOENNBERG
Literature Reference Citation J.CHEM.SOC.PERKIN-2,881(2001)
Literature Reference DOI 10.1039/b101754n
Solvent DMSO-D6
Source File Reference UWMZ20108